==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-OCT-05 2C3B . COMPND 2 MOLECULE: PPIASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR A.LIMACHER,D.P.KLOER,S.FLUCKIGER,G.FOLKERS,R.CRAMERI, L.SCAP . 277 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 6 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A S 0 0 115 0, 0.0 29,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -22.8 11.1 -16.1 68.8 2 1 A M + 0 0 183 2,-0.1 2,-0.1 28,-0.1 26,-0.1 0.621 360.0 95.8-103.4 -14.5 13.7 -18.8 69.7 3 2 A S - 0 0 30 1,-0.1 25,-0.3 24,-0.1 2,-0.2 -0.355 69.0-123.1 -84.6 155.9 17.0 -17.2 68.8 4 3 A Q - 0 0 67 23,-0.1 139,-2.0 -2,-0.1 2,-0.4 -0.506 24.8-136.1 -83.5 161.8 19.5 -15.4 71.0 5 4 A V E -AB 26 142A 0 21,-2.1 21,-3.3 137,-0.2 2,-0.3 -0.914 19.4-162.8-117.5 149.1 20.4 -11.8 70.0 6 5 A F E -AB 25 141A 15 135,-2.8 135,-1.7 -2,-0.4 2,-0.4 -0.952 12.7-155.8-133.4 151.9 24.0 -10.5 70.0 7 6 A F E -AB 24 140A 0 17,-2.4 17,-2.8 -2,-0.3 2,-0.6 -0.987 7.8-154.7-117.7 136.1 25.8 -7.2 70.0 8 7 A D E -AB 23 139A 21 131,-3.0 130,-2.3 -2,-0.4 131,-1.3 -0.974 23.0-164.7-106.6 121.0 29.4 -6.8 68.7 9 8 A V E -AB 22 137A 0 13,-2.8 13,-2.8 -2,-0.6 2,-0.5 -0.951 13.8-148.8-119.8 126.8 30.7 -3.7 70.5 10 9 A E E +AB 21 136A 63 126,-2.8 126,-2.1 -2,-0.5 2,-0.3 -0.820 38.3 138.1 -94.0 123.7 33.8 -1.8 69.6 11 10 A Y E -A 20 0A 0 9,-2.2 9,-2.6 -2,-0.5 123,-0.1 -0.984 52.4-119.1-160.9 159.6 35.6 -0.2 72.6 12 11 A A - 0 0 7 121,-0.4 7,-0.2 -2,-0.3 3,-0.1 -0.939 39.6-129.2-105.6 113.4 39.0 0.5 74.1 13 12 A P > - 0 0 22 0, 0.0 3,-1.8 0, 0.0 106,-0.1 -0.186 39.8 -76.7 -57.4 159.0 39.2 -1.2 77.5 14 13 A V T 3 S+ 0 0 86 104,-0.4 3,-0.1 1,-0.2 108,-0.1 -0.273 118.9 20.3 -58.5 133.5 40.4 0.9 80.5 15 14 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.436 108.1 89.7 84.9 2.9 44.2 1.3 80.5 16 15 A T < - 0 0 59 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.0 -0.961 59.2-152.9-132.6 152.8 44.7 0.6 76.8 17 16 A A S S+ 0 0 88 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.529 73.6 91.9 -89.9 -17.4 44.8 2.6 73.5 18 17 A E - 0 0 127 -5,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.716 69.7-137.0 -91.6 132.3 43.8 -0.3 71.3 19 18 A T - 0 0 71 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.3 -0.504 21.0-174.5 -83.9 156.1 40.2 -1.0 70.5 20 19 A K E -A 11 0A 78 -9,-2.6 -9,-2.2 -2,-0.2 2,-0.5 -0.868 24.3-123.3-134.6 170.2 38.7 -4.5 70.5 21 20 A V E -A 10 0A 75 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.987 29.0-173.1-121.7 121.1 35.3 -5.9 69.5 22 21 A G E -A 9 0A 4 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.4 -0.948 15.6-135.1-115.5 140.5 33.5 -7.8 72.3 23 22 A R E -A 8 0A 101 -2,-0.4 2,-0.5 -15,-0.2 92,-0.2 -0.750 11.5-165.5 -98.1 136.6 30.3 -9.8 71.9 24 23 A I E -A 7 0A 0 -17,-2.8 -17,-2.4 -2,-0.4 2,-0.4 -0.991 11.0-163.4-116.6 120.7 27.4 -9.7 74.2 25 24 A V E -A 6 0A 14 -2,-0.5 83,-3.1 -19,-0.2 84,-0.4 -0.871 7.2-162.7-105.5 138.2 24.8 -12.5 73.7 26 25 A F E -AC 5 107A 0 -21,-3.3 -21,-2.1 -2,-0.4 2,-0.4 -0.957 18.9-146.3-124.0 145.4 21.3 -12.3 75.2 27 26 A N E - C 0 106A 55 79,-2.5 79,-2.3 -2,-0.4 2,-0.3 -0.876 29.6-149.9 -95.5 128.5 18.5 -14.7 75.9 28 27 A L E - C 0 105A 21 -2,-0.4 2,-0.7 -25,-0.3 77,-0.3 -0.804 15.3-134.8-107.1 155.1 15.1 -12.8 75.4 29 28 A F >> + 0 0 50 75,-3.0 4,-2.6 -2,-0.3 3,-0.5 -0.438 40.9 155.3-103.1 59.9 11.9 -13.4 77.1 30 29 A D T 34 S+ 0 0 25 -2,-0.7 -1,-0.2 1,-0.3 8,-0.1 0.769 72.7 54.0 -57.6 -29.9 9.6 -13.3 74.1 31 30 A K T 34 S+ 0 0 202 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.886 113.6 41.0 -71.5 -40.2 7.0 -15.5 75.8 32 31 A D T <4 S+ 0 0 123 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.904 136.2 13.1 -72.5 -45.4 6.8 -13.1 78.8 33 32 A V S X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.1 5,-0.3 -0.606 71.4 169.6-137.5 71.8 6.9 -9.8 76.9 34 33 A P H > S+ 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 76.3 46.6 -57.6 -45.0 6.3 -10.5 73.2 35 34 A K H > S+ 0 0 179 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 114.5 47.7 -69.0 -38.0 5.9 -6.9 71.9 36 35 A T H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 115.3 43.8 -68.2 -45.0 8.9 -5.6 73.8 37 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.913 112.9 53.8 -66.2 -41.4 11.2 -8.4 72.7 38 37 A K H X S+ 0 0 124 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.925 107.0 51.0 -58.5 -48.2 9.9 -8.1 69.1 39 38 A N H X S+ 0 0 54 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.880 110.1 50.1 -55.5 -41.5 10.7 -4.4 69.0 40 39 A F H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.930 110.8 47.9 -65.0 -46.2 14.2 -5.0 70.2 41 40 A R H X S+ 0 0 15 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.871 112.6 50.1 -61.8 -41.7 14.8 -7.7 67.6 42 41 A E H X S+ 0 0 83 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.918 110.9 47.9 -63.0 -45.6 13.4 -5.4 64.9 43 42 A L H < S+ 0 0 11 -4,-2.6 9,-2.4 1,-0.2 10,-0.4 0.792 108.4 57.0 -66.2 -27.7 15.6 -2.5 66.0 44 43 A a H < S+ 0 0 3 -4,-1.8 -1,-0.2 7,-0.2 9,-0.2 0.843 110.5 43.5 -67.3 -36.7 18.6 -5.0 65.9 45 44 A K H < S+ 0 0 129 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.684 88.6 105.6 -87.1 -20.3 18.0 -5.8 62.3 46 45 A R S < S- 0 0 100 -4,-1.3 7,-0.4 1,-0.1 5,-0.2 -0.163 82.6 -85.3 -60.3 155.9 17.3 -2.4 60.8 47 46 A P >> - 0 0 70 0, 0.0 3,-2.4 0, 0.0 4,-1.4 -0.165 58.9 -77.7 -57.9 154.2 20.0 -0.7 58.7 48 47 A A T 34 S+ 0 0 46 1,-0.3 6,-0.2 2,-0.2 4,-0.1 -0.253 123.8 28.7 -49.7 138.0 22.8 1.3 60.4 49 48 A G T 34 S+ 0 0 74 4,-1.4 -1,-0.3 2,-0.3 5,-0.1 0.083 120.0 56.4 92.9 -24.4 21.3 4.7 61.4 50 49 A E T <4 S+ 0 0 129 -3,-2.4 -2,-0.2 3,-0.1 2,-0.1 0.591 114.8 19.5-109.4 -22.3 17.7 3.3 61.9 51 50 A G S < S- 0 0 14 -4,-1.4 -2,-0.3 2,-0.3 -7,-0.2 -0.348 107.0 -64.0-126.3-151.7 18.4 0.6 64.4 52 51 A Y S > S+ 0 0 4 -9,-2.4 3,-2.6 -12,-0.2 85,-0.3 0.760 94.3 104.6 -78.1 -24.2 21.0 -0.3 66.9 53 52 A R T 3 S+ 0 0 95 -10,-0.4 -4,-1.4 -7,-0.4 -2,-0.3 -0.417 95.7 11.4 -64.4 127.0 23.8 -1.0 64.4 54 53 A E T 3 S+ 0 0 81 83,-3.6 -1,-0.3 1,-0.4 84,-0.1 0.366 101.5 123.0 82.9 0.2 26.2 2.0 64.6 55 54 A S < - 0 0 28 -3,-2.6 82,-3.0 82,-0.3 -1,-0.4 -0.478 50.7-139.3 -83.5 169.1 24.5 3.4 67.8 56 55 A T B -D 136 0A 49 80,-0.2 2,-0.6 -2,-0.1 13,-0.4 -0.760 18.2 -99.9-125.9 166.9 26.5 3.9 70.9 57 56 A F - 0 0 0 78,-2.1 11,-0.2 -2,-0.3 3,-0.1 -0.814 34.5-175.2 -91.0 118.4 26.3 3.5 74.7 58 57 A H + 0 0 79 9,-1.6 2,-0.4 -2,-0.6 71,-0.4 0.785 65.8 27.3 -85.4 -40.2 25.4 6.9 76.2 59 58 A R E +E 67 0A 33 8,-1.0 8,-2.7 69,-0.1 2,-0.3 -0.999 64.5 173.0-132.0 133.7 25.6 6.3 79.9 60 59 A I E -E 66 0A 0 67,-2.3 64,-1.9 -2,-0.4 67,-0.3 -0.998 10.9-170.1-142.2 135.2 27.7 3.7 81.7 61 60 A I E >> -E 65 0A 3 4,-2.8 4,-2.0 -2,-0.3 3,-2.0 -0.988 35.6-107.3-127.1 127.6 28.3 3.1 85.4 62 61 A P T 34 S- 0 0 36 0, 0.0 59,-0.1 0, 0.0 55,-0.1 -0.136 98.4 -1.3 -54.9 139.0 31.1 0.7 86.5 63 62 A N T 34 S+ 0 0 32 54,-0.3 54,-0.1 1,-0.1 55,-0.0 0.674 133.7 58.7 55.1 22.6 29.8 -2.7 88.0 64 63 A F T <4 S- 0 0 0 -3,-2.0 166,-2.7 1,-0.2 167,-0.7 0.578 96.7 -8.4-141.6 -61.6 26.2 -1.5 87.5 65 64 A M E < -EF 61 229A 0 -4,-2.0 -4,-2.8 164,-0.2 2,-0.4 -0.995 26.7-159.5-155.7 159.6 24.8 -0.4 84.1 66 65 A I E -EF 60 228A 0 162,-2.0 162,-2.5 -2,-0.3 2,-0.5 -0.995 18.9-162.6-134.0 135.1 25.0 0.4 80.4 67 66 A Q E +EF 59 227A 2 -8,-2.7 -9,-1.6 -2,-0.4 -8,-1.0 -0.974 21.3 150.7-122.2 130.8 22.4 2.4 78.6 68 67 A G E + F 0 226A 0 158,-2.5 158,-1.8 -2,-0.5 -11,-0.2 -0.693 31.8 75.3-137.8-167.7 22.0 2.5 74.9 69 68 A G 0 0 4 -13,-0.4 -1,-0.1 156,-0.3 -12,-0.1 0.707 360.0 360.0 73.3 26.4 19.4 2.9 72.2 70 69 A D 0 0 109 -14,-0.4 -1,-0.1 -3,-0.1 155,-0.1 0.648 360.0 360.0-127.9 360.0 18.8 6.7 72.2 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 92 A S > 0 0 119 0, 0.0 4,-2.1 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -82.1 19.4 15.2 91.1 73 93 A R H > + 0 0 139 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.916 360.0 50.4 -70.6 -39.9 22.4 13.4 89.7 74 94 A K H > S+ 0 0 156 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.948 112.5 47.3 -62.4 -41.8 24.5 15.5 92.1 75 95 A H H >4 S+ 0 0 67 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.908 109.2 51.2 -66.5 -43.7 22.2 14.5 94.9 76 96 A D H >< S+ 0 0 8 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.923 108.3 55.0 -57.6 -40.6 22.2 10.8 94.0 77 97 A K H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.700 96.1 65.0 -68.1 -20.7 26.1 10.9 94.0 78 98 A K T << S- 0 0 115 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.544 124.7 -76.9 -79.3 -11.4 26.2 12.3 97.5 79 99 A G < - 0 0 1 -3,-1.5 167,-2.4 -4,-0.3 2,-0.4 0.458 44.8-154.6 111.5 111.6 24.7 9.1 99.0 80 100 A I E -IJ 90 245B 2 10,-2.3 10,-2.2 -4,-0.3 2,-0.5 -0.929 7.9-145.5-114.1 140.2 21.1 7.8 99.1 81 101 A L E +IJ 89 244B 0 163,-2.3 162,-2.6 -2,-0.4 163,-1.5 -0.931 25.5 176.5-108.9 122.9 19.6 5.5 101.6 82 102 A S E -IJ 88 242B 0 6,-2.6 6,-2.7 -2,-0.5 2,-0.4 -0.910 20.4-145.9-128.3 150.3 17.0 3.1 100.2 83 103 A M E IJ 87 241B 22 158,-2.5 158,-2.6 -2,-0.3 4,-0.2 -0.927 360.0 360.0-114.8 142.6 14.9 0.2 101.6 84 104 A A 0 0 53 2,-2.2 156,-0.1 -2,-0.4 151,-0.0 -0.844 360.0 360.0-148.2 360.0 14.0 -2.9 99.6 85 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 86 114 A Q 0 0 101 0, 0.0 -2,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.1 17.3 -4.7 103.8 87 115 A F E -IK 83 211B 0 124,-1.9 124,-2.6 -4,-0.2 2,-0.4 -0.828 360.0-155.5-123.8 156.6 18.8 -1.2 103.2 88 116 A F E -IK 82 210B 6 -6,-2.7 -6,-2.6 -2,-0.3 2,-0.5 -0.992 7.9-159.0-131.7 137.6 21.2 0.2 100.6 89 117 A I E -IK 81 209B 0 120,-2.8 120,-2.1 -2,-0.4 2,-0.4 -0.992 24.0-176.6-112.8 119.2 23.6 3.1 100.6 90 118 A T E +IK 80 208B 0 -10,-2.2 -10,-2.3 -2,-0.5 118,-0.2 -0.946 24.4 179.0-121.4 143.0 24.3 4.2 97.0 91 119 A T + 0 0 2 116,-2.5 2,-0.3 -2,-0.4 117,-0.1 0.056 63.9 76.9-131.0 22.3 26.7 6.9 95.6 92 120 A A S S- 0 0 1 115,-0.4 34,-0.2 -16,-0.1 2,-0.2 -0.836 102.7 -73.0-120.3 163.5 26.2 6.5 91.9 93 121 A V + 0 0 3 32,-2.6 -2,-0.1 -2,-0.3 -20,-0.1 -0.425 60.2 156.6 -60.1 122.6 23.2 7.7 89.9 94 122 A T > + 0 0 2 -2,-0.2 3,-2.1 -4,-0.1 -1,-0.2 0.420 42.8 96.3-125.2 -10.4 20.2 5.4 90.8 95 123 A S T 3 S+ 0 0 70 1,-0.3 -2,-0.1 -23,-0.1 -22,-0.0 0.741 74.9 67.8 -59.6 -29.4 17.1 7.6 90.0 96 124 A W T 3 S+ 0 0 24 1,-0.2 2,-1.2 2,-0.1 -1,-0.3 0.668 84.4 80.7 -61.1 -20.3 16.7 6.0 86.5 97 125 A L < + 0 0 1 -3,-2.1 -1,-0.2 1,-0.1 139,-0.1 -0.727 54.0 148.8 -90.3 88.1 15.9 2.7 88.4 98 126 A D - 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